SCHEMBL30409351

SCHEMBL30409351

CN1CCc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)nn3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.48
▸ HDAC1 Q13547 10/20 0.46
▸ WNT1 P04628 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24215885 1.00 HDAC6 (0.48) HDAC6HDAC1WNT1CLK2CLK3
SCHEMBL24215734 0.97 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL30409447 0.97 HDAC6 (0.49) HDAC6HDAC1
SCHEMBL30409430 0.93 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL24216323 0.93 HDAC6 (0.51) HDAC6HDAC1
SCHEMBL25354988 0.90 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25351746 0.90 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25351091 0.88 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25351001 0.88 HDAC6 (0.47) HDAC6HDAC1
SCHEMBL25351336 0.86 HDAC1 (0.46) HDAC6HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185586-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2023-05-31 — — EP disclosed
CN-116133658-A Novel compounds as inhibitors of histone deacetylase 6 and pharmaceutical compositions comprising the same 株式会社 钟根堂 2023-05-16 — — CN disclosed
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